dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride

Systemtic Name: dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Openeye Name: dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride CAS Name: dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride IUPAC Name: dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Traditional Name: dimethylsilylidenezirconium(2+); 9-(2-propyl-1H-inden-1-id-4-yl)phenanthrene; dichloride Formula: C108H96Cl2Si2Zr2-2 MolecularWeight: 1703.44284

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

Isomeric SMILES

CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.CCCC1=CC2=C([CH-]1)C=CC=C2C3=CC4=CC=CC=C4C5=CC=CC=C53.C[Si](=[Zr+2])C.C[Si](=[Zr+2])C.[Cl-].[Cl-]

InChI

InChI=1S/4C26H21.2C2H6Si.2ClH.2Zr/c4*1-2-8-18-15-19-10-7-14-24(25(19)16-18)26-17-20-9-3-4-11-21(20)22-12-5-6-13-23(22)26;2*1-3-2;;;;/h4*3-7,9-17H,2,8H2,1H3;2*1-2H3;2*1H;;/q4*-1;;;;;2*+2/p-2